smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000633351	193860090	/nfs/dbraw/zinc/86/00/90/193860090.db2.gz	PYFRPTDCEBSAIY-IYMWYRQMSA-N	0	0	512.971	2.996	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	ZINC000000634606	193860529	/nfs/dbraw/zinc/86/05/29/193860529.db2.gz	BSFLXMOSBHQCQQ-MFUBYVTQSA-N	0	0	524.595	2.833	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635443	193860933	/nfs/dbraw/zinc/86/09/33/193860933.db2.gz	IUFLOROVAODSEO-IGSWSUAKSA-N	0	0	522.579	2.741	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635450	193860863	/nfs/dbraw/zinc/86/08/63/193860863.db2.gz	SADYBNWTXQYPHK-MFUBYVTQSA-N	0	0	522.579	2.741	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635502	193860871	/nfs/dbraw/zinc/86/08/71/193860871.db2.gz	ISMMOHIBASRDLH-VVNKCDPRSA-N	0	0	552.605	2.749	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635584	193860982	/nfs/dbraw/zinc/86/09/82/193860982.db2.gz	OAMQRWBHKOAHPO-PNZYDNNZSA-N	0	0	552.605	2.749	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)ccc3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635586	193861013	/nfs/dbraw/zinc/86/10/13/193861013.db2.gz	OAMQRWBHKOAHPO-CBYYHRJHSA-N	0	0	552.605	2.749	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635592	193860921	/nfs/dbraw/zinc/86/09/21/193860921.db2.gz	ISAIXZGAFRRNHE-YMSBRDKKSA-N	0	0	552.605	2.749	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OC)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1	ZINC000000635594	193861004	/nfs/dbraw/zinc/86/10/04/193861004.db2.gz	ISAIXZGAFRRNHE-IGSWSUAKSA-N	0	0	552.605	2.749	10	0		KFAERN
O=C(OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000000643259	551507087	/nfs/dbraw/zinc/50/70/87/551507087.db2.gz	MPYUTOYNCCRZAC-BPHNFWMXSA-N	0	0	556.527	2.742	10	0		KFAERN
COc1ccc(NC(=O)CSc2nnc3c4cc(S(=O)(=O)N(C)C)ccc4[nH]c3n2)c(OC)c1	ZINC000003021907	552264043	/nfs/dbraw/zinc/26/40/43/552264043.db2.gz	ILHCPBGGSQHTEZ-UHFFFAOYSA-N	0	0	502.578	2.504	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCN(c4ccccc4F)CC3)c21	ZINC000003662166	552407579	/nfs/dbraw/zinc/40/75/79/552407579.db2.gz	LIUAIMHYWCNBLG-UHFFFAOYSA-N	0	0	539.471	2.988	10	0		KFAERN
Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](C)NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc12	ZINC000003663468	552407789	/nfs/dbraw/zinc/40/77/89/552407789.db2.gz	WHHVUHVQASLXDV-QGZVFWFLSA-N	0	0	506.511	2.595	10	0		KFAERN
Cc1cc(=O)oc2cc(OCC(=O)NC[C@H](C)NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc12	ZINC000003663469	552407874	/nfs/dbraw/zinc/40/78/74/552407874.db2.gz	WHHVUHVQASLXDV-KRWDZBQOSA-N	0	0	506.511	2.595	10	0		KFAERN
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)C(=O)NC(C)(C)C	ZINC000003915259	561684674	/nfs/dbraw/zinc/68/46/74/561684674.db2.gz	ZILOOGIOHVCEKS-HZFUHODCSA-N	0	0	604.752	2.763	10	0	investigational	KFAERN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	ZINC000003919807	552422238	/nfs/dbraw/zinc/42/22/38/552422238.db2.gz	CAYJBRBGZBCZKO-BHGBQCOSSA-N	0	0	598.672	2.825	10	0	investigational	KFAERN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O	ZINC000003955058	561690778	/nfs/dbraw/zinc/69/07/78/561690778.db2.gz	BWYBBMQLUKXECQ-GIVPXCGWSA-N	0	0	540.642	2.899	10	0	investigational	KFAERN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2	ZINC000003978820	552424432	/nfs/dbraw/zinc/42/44/32/552424432.db2.gz	BKYWAYNSDFXIPL-LOSJGSFVSA-N	0	0	500.456	2.996	10	0	biogenic,in-vitro	KFAERN
COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)cc1	ZINC000003981341	561692557	/nfs/dbraw/zinc/69/25/57/561692557.db2.gz	BINXAIIXOUQUKC-UIPNDDLNSA-N	0	0	562.685	2.802	10	0	in-vitro	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000003984009	561692752	/nfs/dbraw/zinc/69/27/52/561692752.db2.gz	NRUKOCRGYNPUPR-ZBEISQECSA-N	0	0	656.662	2.753	10	0	in-man	KFAERN
CC(=O)SC[C@H]1[C@@H](c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O	ZINC000004095641	560193464	/nfs/dbraw/zinc/19/34/64/560193464.db2.gz	VTZRKUFAIWPNRI-ZFCZOSEKSA-N	0	0	500.573	2.859	10	0	in-vitro	KFAERN
CC(=O)SC[C@H]1[C@H](c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O	ZINC000004095642	560193474	/nfs/dbraw/zinc/19/34/74/560193474.db2.gz	VTZRKUFAIWPNRI-ZEWNOJEFSA-N	0	0	500.573	2.859	10	0	in-vitro	KFAERN
CC(=O)SC[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O	ZINC000004095643	560193487	/nfs/dbraw/zinc/19/34/87/560193487.db2.gz	VTZRKUFAIWPNRI-PSMQTCRGSA-N	0	0	500.573	2.859	10	0	in-vitro	KFAERN
CC(=O)SC[C@@H]1[C@H](c2ccc3c(c2)OCO3)C[C@@H](C(=O)N[C@@H](C)C(=O)OCc2ccccc2)N1O	ZINC000004095644	560193458	/nfs/dbraw/zinc/19/34/58/560193458.db2.gz	VTZRKUFAIWPNRI-FCRQHZQGSA-N	0	0	500.573	2.859	10	0	in-vitro	KFAERN
CC(C)(O)[C@@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000004097804	561693744	/nfs/dbraw/zinc/69/37/44/561693744.db2.gz	FBGLZDYMEULGSX-TVAWUZSASA-N	0	0	532.674	2.814	10	0	in-vitro	KFAERN
CC(C)(O)[C@H](O)CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000004097805	561693745	/nfs/dbraw/zinc/69/37/45/561693745.db2.gz	FBGLZDYMEULGSX-CQPOVTOMSA-N	0	0	532.674	2.814	10	0	biogenic,in-vitro	KFAERN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)C2	ZINC000004164613	291755511	/nfs/dbraw/zinc/75/55/11/291755511.db2.gz	BKYWAYNSDFXIPL-JWQCQUIFSA-N	0	0	500.456	2.996	10	0	biogenic,in-vitro	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000004166028	552443853	/nfs/dbraw/zinc/44/38/53/552443853.db2.gz	NRUKOCRGYNPUPR-BAMNYYQOSA-N	0	0	656.662	2.753	10	0	in-vitro	KFAERN
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)NC(C)C	ZINC000004200770	552448408	/nfs/dbraw/zinc/44/84/08/552448408.db2.gz	BTAAEFXFNGYTAX-RPWUZVMVSA-N	0	0	534.617	2.705	10	0	biogenic	KFAERN
CCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)c2cccc(NC=O)c2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)CC(C)C	ZINC000004212164	561694137	/nfs/dbraw/zinc/69/41/37/561694137.db2.gz	PVEVXUMVNWSNIG-PDPGNHKXSA-N	0	0	520.579	2.700	10	0	endogenous,in-man	KFAERN
CCCCOC[C@H](CN1C(=O)N(C[C@@H](COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O	ZINC000004212927	561694234	/nfs/dbraw/zinc/69/42/34/561694234.db2.gz	GJJRIOLBUILIGK-VXKWHMMOSA-N	0	0	578.663	2.686	10	0	in-man	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](c6ccccc6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000004214218	552449743	/nfs/dbraw/zinc/44/97/43/552449743.db2.gz	SBPPWJIDARICBS-ONJFOWIISA-N	0	0	664.660	2.994	10	0		KFAERN
CC(C)c1nc(N2CCC(C3CC[NH2+]CC3)CC2)sc1C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-]	ZINC000004393118	560198303	/nfs/dbraw/zinc/19/83/03/560198303.db2.gz	MEZPFQCSPHLLNE-NRFANRHFSA-N	0	0	563.746	2.644	10	0	in-vitro	KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)c21	ZINC000004734368	552474108	/nfs/dbraw/zinc/47/41/08/552474108.db2.gz	QQPJFCSVCOVXEZ-UHFFFAOYSA-N	0	0	520.449	2.871	10	0		KFAERN
COc1ccccc1N1CCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)CC1	ZINC000004734384	552474393	/nfs/dbraw/zinc/47/43/93/552474393.db2.gz	KVQXYBYMDYOIDY-UHFFFAOYSA-N	0	0	550.475	2.879	10	0		KFAERN
COc1ccc(CCNC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)CC3)cc1OC	ZINC000004757901	552475936	/nfs/dbraw/zinc/47/59/36/552475936.db2.gz	NDBOMDKVPYCEKU-UHFFFAOYSA-N	0	0	539.448	2.898	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c21	ZINC000004757983	552476257	/nfs/dbraw/zinc/47/62/57/552476257.db2.gz	HJQVPIROJJFSFY-UHFFFAOYSA-N	0	0	561.458	2.958	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCN3CCCC[C@H]3C)c21	ZINC000004757991	552476145	/nfs/dbraw/zinc/47/61/45/552476145.db2.gz	VMLQHVMFWNYXCH-OAHLLOKOSA-N	0	0	500.459	2.513	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCN3CCCC[C@@H]3C)c21	ZINC000004757993	552476208	/nfs/dbraw/zinc/47/62/08/552476208.db2.gz	VMLQHVMFWNYXCH-HNNXBMFYSA-N	0	0	500.459	2.513	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000004758213	552476174	/nfs/dbraw/zinc/47/61/74/552476174.db2.gz	NBTRXZBRGSVRNZ-UHFFFAOYSA-N	0	0	536.448	2.983	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c21	ZINC000004758273	552476406	/nfs/dbraw/zinc/47/64/06/552476406.db2.gz	GVHYASAILXBUCJ-ZBFHGGJFSA-N	0	0	506.422	2.718	10	0		KFAERN
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c21	ZINC000004759028	552476390	/nfs/dbraw/zinc/47/63/90/552476390.db2.gz	SDWKOJMBTVRCNX-PBHICJAKSA-N	0	0	518.433	2.718	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCN3CCN(c4ccccc4)CC3)c21	ZINC000004765409	552479754	/nfs/dbraw/zinc/47/97/54/552479754.db2.gz	YPMRMEBFEFTFQX-UHFFFAOYSA-N	0	0	577.545	2.850	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)NCc4ccccn4)CC3)c21	ZINC000004789762	552483171	/nfs/dbraw/zinc/48/31/71/552483171.db2.gz	MBQFBSBXXARHIG-UHFFFAOYSA-N	0	0	535.464	2.860	10	0		KFAERN
O=C(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000004974421	552490884	/nfs/dbraw/zinc/49/08/84/552490884.db2.gz	MPYUTOYNCCRZAC-HMNRDNJPSA-N	0	0	556.527	2.742	10	0		KFAERN
COc1ccc(CNC(=O)[C@@H](c2ccc(O)cc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1	ZINC000006973613	561703327	/nfs/dbraw/zinc/70/33/27/561703327.db2.gz	TVONKIFIPYRNRD-JOCHJYFZSA-N	0	0	535.582	2.832	10	0	in-vitro	KFAERN
COc1ccc(CNC(=O)[C@H](c2ccc(O)cc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1	ZINC000006973624	561703363	/nfs/dbraw/zinc/70/33/63/561703363.db2.gz	TVONKIFIPYRNRD-QFIPXVFZSA-N	0	0	535.582	2.832	10	0	in-vitro	KFAERN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@](C)(CO)O2	ZINC000008219666	560207425	/nfs/dbraw/zinc/20/74/25/560207425.db2.gz	QJEQHVALLZCTGC-HPNIRRCESA-N	0	0	592.770	2.653	10	0	in-vitro	KFAERN
CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C	ZINC000008221372	561705344	/nfs/dbraw/zinc/70/53/44/561705344.db2.gz	AOHIGMQGPFTKQX-QZPKXHNASA-N	0	0	518.691	2.720	10	0	in-vitro	KFAERN
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC(=O)[C@]23C)O[C@]12CC[C@@H](C)CO2	ZINC000008234218	560207825	/nfs/dbraw/zinc/20/78/25/560207825.db2.gz	NVCUAFIUMZCPGV-RGIGLGGVSA-N	0	0	592.770	2.797	10	0	in-vitro	KFAERN
CCOC(=O)[C@@H]1C(c2ccc(Br)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000008648226	553106823	/nfs/dbraw/zinc/10/68/23/553106823.db2.gz	UPJKSNJPCVADCN-KYQOMENCSA-N	0	0	552.262	2.996	10	0		KFAERN
CCOC(=O)[C@H]1C(c2ccc(Br)cc2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000008648227	553106765	/nfs/dbraw/zinc/10/67/65/553106765.db2.gz	UPJKSNJPCVADCN-HJUPKNEGSA-N	0	0	552.262	2.996	10	0		KFAERN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2	ZINC000009222049	553221898	/nfs/dbraw/zinc/22/18/98/553221898.db2.gz	BKYWAYNSDFXIPL-DQEYMECFSA-N	0	0	500.456	2.996	10	0		KFAERN
CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)C2	ZINC000009222050	553221917	/nfs/dbraw/zinc/22/19/17/553221917.db2.gz	BKYWAYNSDFXIPL-RPBOFIJWSA-N	0	0	500.456	2.996	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C(=O)NCc4ccco4)CC3)c21	ZINC000009615045	553290322	/nfs/dbraw/zinc/29/03/22/553290322.db2.gz	FFHUGVOZGBMFCH-UHFFFAOYSA-N	0	0	510.410	2.668	10	0		KFAERN
CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1	ZINC000009615082	553290281	/nfs/dbraw/zinc/29/02/81/553290281.db2.gz	KUFUWUHYIPBTFM-UHFFFAOYSA-N	0	0	530.485	2.692	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000009673547	553294149	/nfs/dbraw/zinc/29/41/49/553294149.db2.gz	DQOZMQVJWMIZHT-UHFFFAOYSA-N	0	0	510.554	2.603	10	0		KFAERN
Cc1ccc(Cn2c3nnc(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c3ccccc3c2=O)cc1	ZINC000009831412	553309406	/nfs/dbraw/zinc/30/94/06/553309406.db2.gz	NLDLKJKWJCGNGN-UHFFFAOYSA-N	0	0	524.581	2.911	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)N1CCN(c2ccccn2)CC1	ZINC000009831433	553309346	/nfs/dbraw/zinc/30/93/46/553309346.db2.gz	ODJUSGJPWMBSDS-UHFFFAOYSA-N	0	0	511.561	2.908	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1Cl)NCCCN1CCCC1=O	ZINC000009831514	553309476	/nfs/dbraw/zinc/30/94/76/553309476.db2.gz	OPICBXJSLAEFIE-UHFFFAOYSA-N	0	0	506.994	2.807	10	0		KFAERN
CC(C)OCCCn1c2nnc(CCC(=O)N3CCN(c4ccccn4)CC3)n2c2ccccc2c1=O	ZINC000009831625	553309792	/nfs/dbraw/zinc/30/97/92/553309792.db2.gz	DRTNCGIDXJTYTP-UHFFFAOYSA-N	0	0	503.607	2.536	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)N1CCN(c2ccccn2)CC1	ZINC000009968872	553321899	/nfs/dbraw/zinc/32/18/99/553321899.db2.gz	PQJRIHYQUMTLBS-UHFFFAOYSA-N	0	0	507.598	2.963	10	0		KFAERN
Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)N(C)C[C@@H](O)c4ccccc4)CC3)c2C1=O	ZINC000011909136	553348490	/nfs/dbraw/zinc/34/84/90/553348490.db2.gz	DTGCCZMVFYESJL-RUZDIDTESA-N	0	0	515.614	2.933	10	0		KFAERN
Cc1nn(C)cc1CN1C(=O)c2cccc(N3CCC(C(=O)N(C)C[C@H](O)c4ccccc4)CC3)c2C1=O	ZINC000011909137	553348470	/nfs/dbraw/zinc/34/84/70/553348470.db2.gz	DTGCCZMVFYESJL-VWLOTQADSA-N	0	0	515.614	2.933	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2cccc(Cl)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000012368645	553359824	/nfs/dbraw/zinc/35/98/24/553359824.db2.gz	LPHVCEOTBIKRRI-KYQOMENCSA-N	0	0	507.811	2.887	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000012368646	553359819	/nfs/dbraw/zinc/35/98/19/553359819.db2.gz	LPHVCEOTBIKRRI-NKPGLDSYSA-N	0	0	507.811	2.887	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2cccc(Cl)c2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	ZINC000012368647	553359821	/nfs/dbraw/zinc/35/98/21/553359821.db2.gz	LPHVCEOTBIKRRI-FPISHFTHSA-N	0	0	507.811	2.887	10	0		KFAERN
CCCCn1c(N)c(N(CC)C(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)c(=O)[nH]c1=O	ZINC000012979024	561711332	/nfs/dbraw/zinc/71/13/32/561711332.db2.gz	MLRVVYWINPRYDP-UHFFFAOYSA-N	0	0	525.631	2.727	10	0		KFAERN
COc1cc([C@H](O)[C@H](CO)Oc2ccc(/C=C/C(=O)NCCc3ccc(O)cc3)cc2OC)ccc1O	ZINC000013383040	291765039	/nfs/dbraw/zinc/76/50/39/291765039.db2.gz	PJAFJMNWVUKNOR-MGBVTPAKSA-N	0	0	509.555	2.960	10	0	biogenic,in-vitro	KFAERN
CCOC(=O)[C@H]1C(c2cccc(Cl)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000013468652	553459732	/nfs/dbraw/zinc/45/97/32/553459732.db2.gz	LPHVCEOTBIKRRI-HJUPKNEGSA-N	0	0	507.811	2.887	10	0		KFAERN
O=C(N[C@H](Cc1cscn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1nc2ccccc2[nH]1	ZINC000014209607	553506387	/nfs/dbraw/zinc/50/63/87/553506387.db2.gz	JHRSGCIIDRWHCD-UARRHKHWSA-N	0	0	525.675	2.948	10	0	in-vitro	KFAERN
CCN(CC)C(=O)CO[C@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N(CCc2ccccc2)C1	ZINC000014539190	553518316	/nfs/dbraw/zinc/51/83/16/553518316.db2.gz	XZIFILOJJRVJDU-AREMUKBSSA-N	0	0	517.630	2.653	10	0		KFAERN
CCN(CC)C(=O)CO[C@@H]1CN(C(=O)c2ccc(-n3cccn3)cc2)CC(=O)N(CCc2ccccc2)C1	ZINC000014539191	553518380	/nfs/dbraw/zinc/51/83/80/553518380.db2.gz	XZIFILOJJRVJDU-SANMLTNESA-N	0	0	517.630	2.653	10	0		KFAERN
COc1cc2c(c(OC)c1)[C@]1(O)[C@H](O)[C@H](C(=O)N(C)C)[C@@H](c3ccccc3)[C@]1(c1ccc(OC)c(O)c1)O2	ZINC000014687620	291764766	/nfs/dbraw/zinc/76/47/66/291764766.db2.gz	VOSHNPGEFUCUHH-IDAMAFBJSA-N	0	0	521.566	2.756	10	0	biogenic	KFAERN
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000014951524	553522156	/nfs/dbraw/zinc/52/21/56/553522156.db2.gz	JYOUATXRHWNDDW-JDIHBLRXSA-N	0	0	634.733	2.755	10	0		KFAERN
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@H](C)N(S(=O)(=O)c2ccccn2)CC1=O	ZINC000014972253	561751499	/nfs/dbraw/zinc/75/14/99/561751499.db2.gz	BWYBBMQLUKXECQ-TYPHKJRUSA-N	0	0	540.642	2.899	10	0		KFAERN
O=C(c1ccco1)N1CCN(C(=O)[C@@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccncc3)C4=O)C2)CC1	ZINC000014999413	553525019	/nfs/dbraw/zinc/52/50/19/553525019.db2.gz	YUMNVBHWUHCATE-OAQYLSRUSA-N	0	0	527.581	2.672	10	0		KFAERN
O=C(c1ccco1)N1CCN(C(=O)[C@H]2CCCN(c3cccc4c3C(=O)N(Cc3ccncc3)C4=O)C2)CC1	ZINC000014999416	553525018	/nfs/dbraw/zinc/52/50/18/553525018.db2.gz	YUMNVBHWUHCATE-NRFANRHFSA-N	0	0	527.581	2.672	10	0		KFAERN
CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O	ZINC000016613219	553570201	/nfs/dbraw/zinc/57/02/01/553570201.db2.gz	KDPIQWUCUSYMSF-UHFFFAOYSA-N	0	0	506.628	2.758	10	0		KFAERN
CN(C)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1=O	ZINC000016613220	553570211	/nfs/dbraw/zinc/57/02/11/553570211.db2.gz	NTASZXVAYIVFRM-UHFFFAOYSA-N	0	0	525.458	2.911	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000020105624	553689778	/nfs/dbraw/zinc/68/97/78/553689778.db2.gz	QVOMFKICJUDTJU-UHFFFAOYSA-N	0	0	522.421	2.593	10	0		KFAERN
CCOC(CCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2)OCC	ZINC000020116769	553697675	/nfs/dbraw/zinc/69/76/75/553697675.db2.gz	JASUCCWHQGRIEA-UHFFFAOYSA-N	0	0	519.458	2.817	10	0		KFAERN
Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(Cc3cc(=O)n4c(C)cccc4n3)c2=O)cc1	ZINC000020153271	553597728	/nfs/dbraw/zinc/59/77/28/553597728.db2.gz	AVKKBIVMRCOKGB-UHFFFAOYSA-N	0	0	523.593	2.933	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OC)cc2)c2n1C(=O)[C@H](c1ccc(OC)cc1)SC=2C(=O)OC	ZINC000020167919	553600899	/nfs/dbraw/zinc/60/08/99/553600899.db2.gz	HSMZFRVUJWIHGJ-YHSGTQGLSA-N	0	0	522.579	2.503	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OC)cc2)c2n1C(=O)[C@@H](c1ccc(OC)cc1)SC=2C(=O)OC	ZINC000020167921	553600921	/nfs/dbraw/zinc/60/09/21/553600921.db2.gz	HSMZFRVUJWIHGJ-CMYVBNMBSA-N	0	0	522.579	2.503	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccccc2OC)c2n1C(=O)[C@H](c1ccccc1OC)SC=2C(=O)OC	ZINC000020167939	553600895	/nfs/dbraw/zinc/60/08/95/553600895.db2.gz	VDJACTVGKRDTKK-IOUNIBQOSA-N	0	0	522.579	2.503	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccccc2OC)c2n1C(=O)[C@@H](c1ccccc1OC)SC=2C(=O)OC	ZINC000020167941	553600905	/nfs/dbraw/zinc/60/09/05/553600905.db2.gz	VDJACTVGKRDTKK-AKXFXYSNSA-N	0	0	522.579	2.503	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NCCCN1CCOCC1	ZINC000020378243	553643559	/nfs/dbraw/zinc/64/35/59/553643559.db2.gz	LRXGHYFIWAREQI-UHFFFAOYSA-N	0	0	509.010	2.517	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1Cl)NCCCN1CCOCC1	ZINC000020378259	553643474	/nfs/dbraw/zinc/64/34/74/553643474.db2.gz	WTVWZLWBSJTXCA-UHFFFAOYSA-N	0	0	509.010	2.517	10	0		KFAERN
CCCCOC(=O)C1=C(N)N(CC(=O)OCC)c2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)C	ZINC000020583207	553676668	/nfs/dbraw/zinc/67/66/68/553676668.db2.gz	ZXGNIVZKFJQRKC-SANMLTNESA-N	0	0	500.548	2.604	10	0		KFAERN
CCCCOC(=O)C1=C(N)N(CC(=O)OCC)c2ccccc2[C@]12C(=O)OC(C)=C2C(=O)OC(C)C	ZINC000020583211	553676708	/nfs/dbraw/zinc/67/67/08/553676708.db2.gz	ZXGNIVZKFJQRKC-AREMUKBSSA-N	0	0	500.548	2.604	10	0		KFAERN
CCCCOC(=O)C1=C(N)Nc2ccc(Br)cc2[C@@]12C(=O)OC(C)=C2C(=O)OCCOC	ZINC000020583328	553676634	/nfs/dbraw/zinc/67/66/34/553676634.db2.gz	CELNCIZFXDGQBH-QFIPXVFZSA-N	0	0	509.353	2.646	10	0		KFAERN
CCCCOC(=O)C1=C(N)Nc2ccc(Br)cc2[C@]12C(=O)OC(C)=C2C(=O)OCCOC	ZINC000020583332	553676631	/nfs/dbraw/zinc/67/66/31/553676631.db2.gz	CELNCIZFXDGQBH-JOCHJYFZSA-N	0	0	509.353	2.646	10	0		KFAERN
COc1ccc(-c2cnc3ncnn3c2N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1	ZINC000025161860	553802827	/nfs/dbraw/zinc/80/28/27/553802827.db2.gz	MOZJXMSUGYVLCG-UHFFFAOYSA-N	0	0	524.603	2.718	10	0		KFAERN
CO[C@@]1(NC(=O)c2ccccc2)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CSc3nnnn3C)CO[C@@H]21	ZINC000026404684	561789722	/nfs/dbraw/zinc/78/97/22/561789722.db2.gz	VIKRLVPBOXVHOI-VEEOACQBSA-N	0	0	612.668	2.860	10	0		KFAERN
CC(=O)N[C@H](CS(=O)(=O)c1cccc2cccnc21)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000026731914	561816744	/nfs/dbraw/zinc/81/67/44/561816744.db2.gz	CBVONKNRKVRZIS-HLCMLFPZSA-N	0	0	709.935	2.712	10	0		KFAERN
CC(=O)N[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCS[C@H]2C[C@H]1C(=O)NC(C)(C)C	ZINC000026735080	561817295	/nfs/dbraw/zinc/81/72/95/561817295.db2.gz	KEAKEWINSNWPIW-UDQVHHHJSA-N	0	0	708.944	2.853	10	0		KFAERN
CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@]21C	ZINC000027311721	553825346	/nfs/dbraw/zinc/82/53/46/553825346.db2.gz	IKDVXNASCSGIHM-SZBOGCPYSA-N	0	0	672.724	2.586	10	0	biogenic	KFAERN
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000027560408	553834880	/nfs/dbraw/zinc/83/48/80/553834880.db2.gz	JYOUATXRHWNDDW-NXVJRICRSA-N	0	0	634.733	2.755	10	0		KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000028226553	561908206	/nfs/dbraw/zinc/90/82/06/561908206.db2.gz	NRUKOCRGYNPUPR-DTKLXRNQSA-N	0	0	656.662	2.753	10	0		KFAERN
CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O	ZINC000028475477	291756838	/nfs/dbraw/zinc/75/68/38/291756838.db2.gz	YIRQWXGQCMAHIW-IRGGMKSGSA-N	0	0	586.774	2.888	10	0	biogenic,in-vitro	KFAERN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	ZINC000028525892	561931769	/nfs/dbraw/zinc/93/17/69/561931769.db2.gz	CAYJBRBGZBCZKO-ZJHKDTCGSA-N	0	0	598.672	2.825	10	0		KFAERN
CC[C@@H](Sc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1cccnc1	ZINC000029749584	553852270	/nfs/dbraw/zinc/85/22/70/553852270.db2.gz	TYTQSDPCENFMLD-HSZRJFAPSA-N	0	0	628.802	2.827	10	0		KFAERN
CC[C@H](Sc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1cccnc1	ZINC000029749586	553852172	/nfs/dbraw/zinc/85/21/72/553852172.db2.gz	TYTQSDPCENFMLD-QHCPKHFHSA-N	0	0	628.802	2.827	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000029749602	553852305	/nfs/dbraw/zinc/85/23/05/553852305.db2.gz	BLXBDLWSLXNTME-UHFFFAOYSA-N	0	0	578.485	2.595	10	0		KFAERN
CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Br)cc4c3N(C(=O)CC)CC4)C2)CC1	ZINC000033356043	553938615	/nfs/dbraw/zinc/93/86/15/553938615.db2.gz	ZAWLFZXEJNETJC-GOSISDBHSA-N	0	0	599.548	2.886	10	0		KFAERN
CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Br)cc4c3N(C(=O)CC)CC4)C2)CC1	ZINC000033356044	553938522	/nfs/dbraw/zinc/93/85/22/553938522.db2.gz	ZAWLFZXEJNETJC-SFHVURJKSA-N	0	0	599.548	2.886	10	0		KFAERN
O=C(CCn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCCSCc1ccccc1	ZINC000033356066	553938541	/nfs/dbraw/zinc/93/85/41/553938541.db2.gz	XZOQHMYULUZDHP-UHFFFAOYSA-N	0	0	541.633	2.659	10	0		KFAERN
O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCc1ccc2c(c1)OCO2	ZINC000033356143	553939540	/nfs/dbraw/zinc/93/95/40/553939540.db2.gz	YVMMLWUVZNQTNY-UHFFFAOYSA-N	0	0	535.416	2.957	10	0		KFAERN
CCOC(CCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)OCC	ZINC000033356147	553939517	/nfs/dbraw/zinc/93/95/17/553939517.db2.gz	PNXUCFLPDSAESN-UHFFFAOYSA-N	0	0	531.469	2.817	10	0		KFAERN
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000033357384	553948019	/nfs/dbraw/zinc/94/80/19/553948019.db2.gz	LDFZKQGAMNRMGS-UHFFFAOYSA-N	0	0	548.459	2.983	10	0		KFAERN
O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1	ZINC000034686249	553988480	/nfs/dbraw/zinc/98/84/80/553988480.db2.gz	SYZJNISJEQTXAW-XMMPIXPASA-N	0	0	519.564	2.950	10	0		KFAERN
O=C(Cc1ccccc1)N(CCN1CCOCC1)C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CCO1	ZINC000034686250	553988464	/nfs/dbraw/zinc/98/84/64/553988464.db2.gz	SYZJNISJEQTXAW-DEOSSOPVSA-N	0	0	519.564	2.950	10	0		KFAERN
Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000034863195	562043739	/nfs/dbraw/zinc/04/37/39/562043739.db2.gz	GAEUFGGQJTWGFV-SFHVURJKSA-N	0	0	519.023	2.872	10	0		KFAERN
Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NC[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C	ZINC000034863196	562043748	/nfs/dbraw/zinc/04/37/48/562043748.db2.gz	GAEUFGGQJTWGFV-GOSISDBHSA-N	0	0	519.023	2.872	10	0		KFAERN
CCOc1ccc(CCNC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC	ZINC000034870754	562043737	/nfs/dbraw/zinc/04/37/37/562043737.db2.gz	VEMCTPDHUGYMDJ-UHFFFAOYSA-N	0	0	518.632	2.787	10	0		KFAERN
O=C(c1ccccc1Cl)N1CCN(c2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)[nH]2)CC1	ZINC000035926272	554098667	/nfs/dbraw/zinc/09/86/67/554098667.db2.gz	VKGRRSNQMICVQD-UHFFFAOYSA-N	0	0	511.001	2.847	10	0		KFAERN
O=C(c1ccc(F)cc1)N1[C@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1ccccc1Cl)CC2	ZINC000035981838	554117823	/nfs/dbraw/zinc/11/78/23/554117823.db2.gz	RATXEQIMVWSOHV-QFIPXVFZSA-N	0	0	515.969	2.811	10	0		KFAERN
O=C(c1ccc(F)cc1)N1[C@@H](C(=O)N2CCOCC2)COC12CCN(C(=O)c1ccccc1Cl)CC2	ZINC000035981839	554117772	/nfs/dbraw/zinc/11/77/72/554117772.db2.gz	RATXEQIMVWSOHV-JOCHJYFZSA-N	0	0	515.969	2.811	10	0		KFAERN
COCCNC(=O)[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035981916	554118120	/nfs/dbraw/zinc/11/81/20/554118120.db2.gz	RVAALUGVFCKTEJ-NRFANRHFSA-N	0	0	503.958	2.715	10	0		KFAERN
COCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)N1C(=O)c1ccc(F)cc1	ZINC000035981917	554118013	/nfs/dbraw/zinc/11/80/13/554118013.db2.gz	RVAALUGVFCKTEJ-OAQYLSRUSA-N	0	0	503.958	2.715	10	0		KFAERN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982036	554118558	/nfs/dbraw/zinc/11/85/58/554118558.db2.gz	PBQOGHFWRRNCAG-VWLOTQADSA-N	0	0	522.621	2.636	10	0		KFAERN
CCc1ccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)N2CCN(C)CC2)N3C(=O)c2ccc(F)cc2)cc1	ZINC000035982037	554118514	/nfs/dbraw/zinc/11/85/14/554118514.db2.gz	PBQOGHFWRRNCAG-RUZDIDTESA-N	0	0	522.621	2.636	10	0		KFAERN
CCNC(=O)N(CCN1CCOCC1)Cc1cnc(S(=O)(=O)Cc2cccc(Cl)c2)n1C(C)C	ZINC000036042853	554151781	/nfs/dbraw/zinc/15/17/81/554151781.db2.gz	BVATUPOSVBEUMG-UHFFFAOYSA-N	0	0	512.076	2.955	10	0		KFAERN
CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(CN(CCN3CCOCC3)Cc3ccc(F)cc3F)n2)C1	ZINC000036061511	554161533	/nfs/dbraw/zinc/16/15/33/554161533.db2.gz	UAJYLJJNWDGLLQ-HXUWFJFHSA-N	0	0	520.577	2.703	10	0		KFAERN
CCOC(=O)[C@H]1CCCN(C(=O)c2coc(CN(CCN3CCOCC3)Cc3ccc(F)cc3F)n2)C1	ZINC000036061512	554161588	/nfs/dbraw/zinc/16/15/88/554161588.db2.gz	UAJYLJJNWDGLLQ-FQEVSTJZSA-N	0	0	520.577	2.703	10	0		KFAERN
[NH3+][C@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000036216032	554206746	/nfs/dbraw/zinc/20/67/46/554206746.db2.gz	JYOUATXRHWNDDW-XEXPGFJZSA-N	0	0	634.733	2.755	10	0	in-vitro	KFAERN
CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036342430	554221691	/nfs/dbraw/zinc/22/16/91/554221691.db2.gz	GCWSFHAXOAYHGM-QFIPXVFZSA-N	0	0	524.574	2.884	10	0		KFAERN
CCOC(=O)N1CCN(CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccc3c(c2)OCO3)CC1	ZINC000036342431	554221699	/nfs/dbraw/zinc/22/16/99/554221699.db2.gz	GCWSFHAXOAYHGM-JOCHJYFZSA-N	0	0	524.574	2.884	10	0		KFAERN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O	ZINC000036383263	562060045	/nfs/dbraw/zinc/06/00/45/562060045.db2.gz	KDUZQLSDBYYYDX-AREMUKBSSA-N	0	0	528.631	2.974	10	0		KFAERN
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O	ZINC000036383264	562059993	/nfs/dbraw/zinc/05/99/93/562059993.db2.gz	KDUZQLSDBYYYDX-SANMLTNESA-N	0	0	528.631	2.974	10	0		KFAERN
CCCCOC[C@@H](CN1C(=O)N(C[C@H](COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O	ZINC000040163079	562073190	/nfs/dbraw/zinc/07/31/90/562073190.db2.gz	GJJRIOLBUILIGK-FGZHOGPDSA-N	0	0	578.663	2.686	10	0	in-man	KFAERN
COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)C2=O)c(OC)c1	ZINC000042833251	554296901	/nfs/dbraw/zinc/29/69/01/554296901.db2.gz	NJXZWIIMWNEOGJ-WEWKHQNJSA-N	0	0	630.119	2.868	10	0	investigational	KFAERN
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1	ZINC000043206251	562647049	/nfs/dbraw/zinc/64/70/49/562647049.db2.gz	WGYPAJVJMXQXTR-ABNZCKJZSA-N	0	0	538.664	2.598	10	0	investigational	KFAERN
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc[nH]c4=O)[C@H](O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000044032066	562651760	/nfs/dbraw/zinc/65/17/60/562651760.db2.gz	PQXVLEMIGAJLIN-BQOYKFDPSA-N	0	0	570.602	2.765	10	0		KFAERN
CC(=O)N[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@H](COC(=O)c2ccccc2)O[C@@H]1OCc1ccccc1	ZINC000044962894	554310786	/nfs/dbraw/zinc/31/07/86/554310786.db2.gz	MYVKGGKJMHXHHZ-FSJVOCHISA-N	0	0	519.550	2.876	10	0	in-vitro	KFAERN
Cn1c2nc(N=NC=CCc3ccc([N+](=O)[O-])o3)n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O	ZINC000048523980	554321973	/nfs/dbraw/zinc/32/19/73/554321973.db2.gz	JJCKHJUZKWGXQX-HGQWUQBZSA-N	0	0	514.296	2.846	10	0		KFAERN
O=C(OCc1ccccc1)[C@@H]1N(C2CCCCC2)C(=O)[C@@]2(O)OCOC[C@@]12C(=O)OCc1ccccc1	ZINC000048533296	554322029	/nfs/dbraw/zinc/32/20/29/554322029.db2.gz	TXLIYAVOZWFTGS-MXSCXNJPSA-N	0	0	509.555	2.696	10	0		KFAERN
O=C(OCc1ccccc1)[C@@H]1N(C2CCCCC2)C(=O)[C@@]2(O)OCOC[C@]12C(=O)OCc1ccccc1	ZINC000048533300	554322003	/nfs/dbraw/zinc/32/20/03/554322003.db2.gz	TXLIYAVOZWFTGS-MLKSZZLFSA-N	0	0	509.555	2.696	10	0		KFAERN
Cc1nc(Nc2ccc([N+](=O)[O-])cc2)sc1C(/C=C/c1ccc([N+](=O)[O-])cc1)=N/NC(=O)C(=O)NN	ZINC000048553472	554322529	/nfs/dbraw/zinc/32/25/29/554322529.db2.gz	XIUYGJUOJCJJNZ-DMFNNRHNSA-N	0	0	510.492	2.535	10	0		KFAERN
CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]43O)C2)O[C@H](C)[C@@H]1O	ZINC000049898889	554326907	/nfs/dbraw/zinc/32/69/07/554326907.db2.gz	UZQOZJNEDXAJEZ-VZJXLKLWSA-N	0	0	592.726	2.652	10	0	biogenic	KFAERN
C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F	ZINC000053313553	562697655	/nfs/dbraw/zinc/69/76/55/562697655.db2.gz	YVCIMJTXGXXSJG-HNNXBMFYSA-N	0	0	534.578	2.786	10	0		KFAERN
C[C@@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F	ZINC000053313556	562697665	/nfs/dbraw/zinc/69/76/65/562697665.db2.gz	YVCIMJTXGXXSJG-OAHLLOKOSA-N	0	0	534.578	2.786	10	0		KFAERN
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3C)OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	ZINC000059246130	193892726	/nfs/dbraw/zinc/89/27/26/193892726.db2.gz	JHUPRZUSAHOVJI-XOBACGFXSA-N	0	0	522.579	2.853	10	0		KFAERN
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1	ZINC000059402108	193896676	/nfs/dbraw/zinc/89/66/76/193896676.db2.gz	CAYJBRBGZBCZKO-YVXKQXFXSA-N	0	0	598.672	2.825	10	0	in-vitro	KFAERN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H]1C	ZINC000059503701	554399537	/nfs/dbraw/zinc/39/95/37/554399537.db2.gz	HYFABAXGXZKVMD-QGZVFWFLSA-N	0	0	521.481	2.847	10	0		KFAERN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)C[C@@H]1C	ZINC000059503702	554399636	/nfs/dbraw/zinc/39/96/36/554399636.db2.gz	HYFABAXGXZKVMD-KRWDZBQOSA-N	0	0	521.481	2.847	10	0		KFAERN
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccccc4)CC3)c21	ZINC000059515005	554401721	/nfs/dbraw/zinc/40/17/21/554401721.db2.gz	KCMRKNDQDSYXDT-UHFFFAOYSA-N	0	0	534.476	2.866	10	0		KFAERN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C[C@H]1C	ZINC000059515130	554402500	/nfs/dbraw/zinc/40/25/00/554402500.db2.gz	FAFXMZSDQMZQJD-OAHLLOKOSA-N	0	0	536.448	2.982	10	0		KFAERN
CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)C[C@@H]1C	ZINC000059515131	554402523	/nfs/dbraw/zinc/40/25/23/554402523.db2.gz	FAFXMZSDQMZQJD-HNNXBMFYSA-N	0	0	536.448	2.982	10	0		KFAERN
CCOc1ccccc1CNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@](C)(C(=O)NCc1ccccc1)C2	ZINC000064953843	554521426	/nfs/dbraw/zinc/52/14/26/554521426.db2.gz	ASKBFCXGLNGCIX-NDEPHWFRSA-N	0	0	501.587	2.905	10	0		KFAERN
CCOc1ccccc1CNC(=O)c1ncn2c1C(=O)N(C1CC1)[C@@](C)(C(=O)NCc1ccccc1)C2	ZINC000064953845	554521429	/nfs/dbraw/zinc/52/14/29/554521429.db2.gz	ASKBFCXGLNGCIX-MUUNZHRXSA-N	0	0	501.587	2.905	10	0		KFAERN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000066066184	562709286	/nfs/dbraw/zinc/70/92/86/562709286.db2.gz	KVCZQFHLXRMEIB-UXWKOXIMSA-N	0	0	582.526	2.537	10	0		KFAERN
C[C@H](C(=O)NCCN1CCOCC1)[C@@H]1CC[C@@]2(C)Cc3sc(CS(=O)(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000067898848	291768224	/nfs/dbraw/zinc/76/82/24/291768224.db2.gz	UBOTWRNUWMIITD-GSFMPAGWSA-N	0	0	555.807	2.994	10	0	biogenic	KFAERN
C[C@H](C(=O)NCCN1CCOCC1)[C@H]1CC[C@@]2(C)Cc3sc(CS(=O)(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O	ZINC000067898849	554535256	/nfs/dbraw/zinc/53/52/56/554535256.db2.gz	UBOTWRNUWMIITD-CMLSFTRASA-N	0	0	555.807	2.994	10	0	biogenic	KFAERN
CC[C@]1(OC(C)=O)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(ccc(OC(C)=O)c2COC(C)=O)nc1-3	ZINC000071318165	562718429	/nfs/dbraw/zinc/71/84/29/562718429.db2.gz	QDANFVSBFOLOPE-MHZLTWQESA-N	0	0	520.494	2.639	10	0		KFAERN
NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000071788085	553637418	/nfs/dbraw/zinc/63/74/18/553637418.db2.gz	ICYSKDDWEYRSIH-UIOOFZCWSA-N	0	0	543.624	2.969	10	0		KFAERN
Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)OCc3ccccc3)ccc12	ZINC000071788396	553638863	/nfs/dbraw/zinc/63/88/63/553638863.db2.gz	WWRUTMQQQWGCPG-QFIPXVFZSA-N	0	0	536.585	2.613	10	0		KFAERN
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000071788402	553638833	/nfs/dbraw/zinc/63/88/33/553638833.db2.gz	UJLOGGPANQIDLV-AVRDEDQJSA-N	0	0	568.652	2.709	10	0		KFAERN
C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ccc2ccccc2c1	ZINC000071788442	553639215	/nfs/dbraw/zinc/63/92/15/553639215.db2.gz	NSTUGGBZPGMBQT-DFBJGRDBSA-N	0	0	542.596	2.660	10	0		KFAERN
NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1	ZINC000072132268	553643512	/nfs/dbraw/zinc/64/35/12/553643512.db2.gz	WDHCLDUKGHLEOU-MRXNPFEDSA-N	0	0	553.650	2.923	10	0	in-vitro	KFAERN
Cc1[nH]c2cccc3c2c1C[C@@H]1C3=C[C@@H](C(=O)N[C@]2(C(C)C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)N3C2=O)C[N@@H+]1C	ZINC000072266905	562733048	/nfs/dbraw/zinc/73/30/48/562733048.db2.gz	AFFLEALSHYGOOD-NOURLPFCSA-N	0	0	589.737	2.739	10	0	in-man	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](c6ccccc6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC	ZINC000072266984	553646926	/nfs/dbraw/zinc/64/69/26/553646926.db2.gz	SBPPWJIDARICBS-ZXZKBMHMSA-N	0	0	664.660	2.994	10	0		KFAERN
CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2C[N@@H+](CC(C)C)CC3=O)CC1	ZINC000077267207	553655079	/nfs/dbraw/zinc/65/50/79/553655079.db2.gz	HQUWCMCEAOZAMK-DQEYMECFSA-N	0	0	512.695	2.863	10	0		KFAERN
Cc1ccc(S(=O)(=O)N2Cc3ccccc3OCCC[C@H]3CN(CC[C@H]3CC(=O)N3CC[C@@H](O)C3)C(=O)C2)cc1	ZINC000077267335	553655209	/nfs/dbraw/zinc/65/52/09/553655209.db2.gz	XFGYLCWGXKRBPQ-KYPHJKQUSA-N	0	0	569.724	2.807	10	0		KFAERN
O=C(C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1CN(S(=O)(=O)c1ccccc1)CC2=O)N1CCOCC1	ZINC000077267430	553655144	/nfs/dbraw/zinc/65/51/44/553655144.db2.gz	PTXXQMJLTXQFBA-ZEQRLZLVSA-N	0	0	555.697	2.764	10	0		KFAERN
COC(=O)[C@H]1O[C@@H](OC[C@@H]2C=C[C@H](n3cnc4c3nc(N)nc4NC3CC3)C2)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	ZINC000077269402	553655124	/nfs/dbraw/zinc/65/51/24/553655124.db2.gz	SPSNBAFTMODFDQ-GMORXOETSA-N	0	0	686.763	2.718	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2cc(O)cc(/C=C\c3ccc(OC(C)=O)cc3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077270535	553656082	/nfs/dbraw/zinc/65/60/82/553656082.db2.gz	LZLFIVXCHYMMKA-XMDCALFISA-N	0	0	586.546	2.560	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2ccc(C(C)(C)c3ccc(OCc4ccccc4)cc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000077272650	553657025	/nfs/dbraw/zinc/65/70/25/553657025.db2.gz	QDYBVNRYTPFATB-NLMMERCGSA-N	0	0	508.567	2.951	10	0	in-vitro	KFAERN
CC(=O)OC[C@H]1O[C@@H](n2cnc3c2nc(Nc2ccccc2)nc3Cl)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077285800	553658180	/nfs/dbraw/zinc/65/81/80/553658180.db2.gz	SSBVPRIMOFPPRF-QTQZEZTPSA-N	0	0	503.899	2.547	10	0	in-vitro	KFAERN
CC(=O)OC[C@H]1O[C@@H](Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077285868	553658132	/nfs/dbraw/zinc/65/81/32/553658132.db2.gz	ARINZWGXWQSZQE-OUUBHVDSSA-N	0	0	525.860	2.854	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2cc3ccnc(Cc4ccc(OC)c(OC)c4)c3cc2OC)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077286735	553658469	/nfs/dbraw/zinc/65/84/69/553658469.db2.gz	ZWGPYACNADIBPB-SIKAAIQYSA-N	0	0	641.626	2.923	10	0	in-vitro	KFAERN
CC/C(=C(/c1ccc(OCC[NH2+]C)cc1)c1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1	ZINC000077287224	553659094	/nfs/dbraw/zinc/65/90/94/553659094.db2.gz	HSQYCNXRYHIGKV-QXBBUDDSSA-N	0	0	549.620	2.925	10	0	in-vitro	KFAERN
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H](C(=O)OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000077293033	553659960	/nfs/dbraw/zinc/65/99/60/553659960.db2.gz	SITQJRWVLLGBDA-XPICPDFBSA-N	0	0	516.587	2.583	10	0	in-vitro	KFAERN
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H](C(=O)OCc3ccccc3)[C@@H](O)[C@H](O)[C@@H]2O)c1	ZINC000077293037	553659928	/nfs/dbraw/zinc/65/99/28/553659928.db2.gz	SITQJRWVLLGBDA-LSHRBJLDSA-N	0	0	516.587	2.583	10	0	in-vitro	KFAERN
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@H](C(=O)OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)c1	ZINC000077293039	553659976	/nfs/dbraw/zinc/65/99/76/553659976.db2.gz	SITQJRWVLLGBDA-VEGWMBEDSA-N	0	0	516.587	2.583	10	0	in-vitro	KFAERN
Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@H](C(=O)OCc3ccccc3)[C@@H](O)[C@H](O)[C@@H]2O)c1	ZINC000077293043	553659943	/nfs/dbraw/zinc/65/99/43/553659943.db2.gz	SITQJRWVLLGBDA-LENLALOCSA-N	0	0	516.587	2.583	10	0	in-vitro	KFAERN
COc1ccc2c(c1)c(CC(=O)O[C@H]1O[C@@H](C(=O)OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1	ZINC000077301236	553660961	/nfs/dbraw/zinc/66/09/61/553660961.db2.gz	GAJOCELFORYMSZ-IOTTWRDDSA-N	0	0	624.042	2.937	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@H](OC(=N)C(Cl)(Cl)Cl)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C	ZINC000077303496	553661946	/nfs/dbraw/zinc/66/19/46/553661946.db2.gz	CCIDTXJAPRZHSL-ZEYKQVSLSA-N	0	0	562.827	2.952	10	0	in-vitro	KFAERN
CC(=O)N[C@@H]1[C@@H](OC(=O)C(C)(C)C)[C@@H](O)[C@@H](COC(=O)C(C)(C)C)O[C@H]1Oc1ccc2c(C)cc(=O)oc2c1	ZINC000077303579	553662307	/nfs/dbraw/zinc/66/23/07/553662307.db2.gz	DYXSONYTZFSEJG-PFKOEMKTSA-N	0	0	547.601	2.618	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(OC(C)=O)cc3)cc(OC(C)=O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312862	553664230	/nfs/dbraw/zinc/66/42/30/553664230.db2.gz	QJSVFPKNACJMKM-JEGSXUJPSA-N	0	0	628.583	2.779	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2ccc(/C=C/c3cc(OC(C)=O)cc(OC(C)=O)c3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312865	553664236	/nfs/dbraw/zinc/66/42/36/553664236.db2.gz	HGHYMWJYXANQKR-JEGSXUJPSA-N	0	0	628.583	2.779	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](Oc2ccc(/C=C\c3cc(OC(C)=O)cc(OC(C)=O)c3)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000077312868	553664245	/nfs/dbraw/zinc/66/42/45/553664245.db2.gz	HGHYMWJYXANQKR-AFFZSONRSA-N	0	0	628.583	2.779	10	0	in-vitro	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000077313306	553664564	/nfs/dbraw/zinc/66/45/64/553664564.db2.gz	NRUKOCRGYNPUPR-DKOJPFNCSA-N	0	0	656.662	2.753	10	0	in-vitro	KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000077313309	553664500	/nfs/dbraw/zinc/66/45/00/553664500.db2.gz	NRUKOCRGYNPUPR-ITFSIKCPSA-N	0	0	656.662	2.753	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	ZINC000077319640	553664752	/nfs/dbraw/zinc/66/47/52/553664752.db2.gz	QGJKDUIQLRJYBH-WLGPCAMQSA-N	0	0	520.490	2.553	10	0	in-vitro	KFAERN
COC(=O)[C@H]1O[C@H](O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	ZINC000077319643	553664798	/nfs/dbraw/zinc/66/47/98/553664798.db2.gz	QGJKDUIQLRJYBH-RBKSQOMQSA-N	0	0	520.490	2.553	10	0	in-vitro	KFAERN
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O	ZINC000084705999	562749927	/nfs/dbraw/zinc/74/99/27/562749927.db2.gz	KZGZTOMXQSOTKE-SJSXQSQASA-N	0	0	534.701	2.811	10	0		KFAERN
COC1=C(Br)[C@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2	ZINC000085566200	562753294	/nfs/dbraw/zinc/75/32/94/562753294.db2.gz	BJWQSQOWGBUSFC-NVXDSCFRSA-N	0	0	818.108	2.842	10	0		KFAERN
CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@@H](C)C(=O)[O-])[C@H](CNc1ccc(C(N)=[NH2+])cc1)N2C	ZINC000089228500	553693438	/nfs/dbraw/zinc/69/34/38/553693438.db2.gz	YKLUXYAMSGHBJX-FPWIQGANSA-N	0	0	503.607	2.807	10	0		KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000094303140	553695588	/nfs/dbraw/zinc/69/55/88/553695588.db2.gz	KFDKDEAVRBTETI-SRRJZWNSSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000094303141	553695531	/nfs/dbraw/zinc/69/55/31/553695531.db2.gz	KFDKDEAVRBTETI-UEOBFSMKSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000094303142	553695540	/nfs/dbraw/zinc/69/55/40/553695540.db2.gz	KFDKDEAVRBTETI-CPTQUMJVSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000094303143	553695524	/nfs/dbraw/zinc/69/55/24/553695524.db2.gz	KFDKDEAVRBTETI-BSSKEJDASA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000094303144	553695612	/nfs/dbraw/zinc/69/56/12/553695612.db2.gz	KFDKDEAVRBTETI-QJKQGCBSSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000094303145	553695881	/nfs/dbraw/zinc/69/58/81/553695881.db2.gz	KFDKDEAVRBTETI-FYIAPKASSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000094303146	553695855	/nfs/dbraw/zinc/69/58/55/553695855.db2.gz	KFDKDEAVRBTETI-IOBGFXRYSA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
O=C(CN1c2ccccc2CC[C@H](N[C@H](CCc2ccccc2)C(=O)OCc2ccccc2)C1=O)O[C@@H]1O[C@@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000094303147	553695848	/nfs/dbraw/zinc/69/58/48/553695848.db2.gz	KFDKDEAVRBTETI-WYVWJPFASA-N	0	0	752.817	2.763	10	0	in-vitro	KFAERN
[NH3+]CCCC[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)NCCCC[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000094307042	553696576	/nfs/dbraw/zinc/69/65/76/553696576.db2.gz	HLRMNXJOFRUYAM-GFWDPPTMSA-N	0	0	792.975	2.557	10	0	in-vitro	KFAERN
CC(=O)OC[C@H]1O[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000094313246	553697504	/nfs/dbraw/zinc/69/75/04/553697504.db2.gz	HGQNCPLOQRIVAN-NDQKEDDOSA-N	0	0	764.733	2.937	10	0	in-vitro	KFAERN
CC(=O)OC[C@H]1O[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000094313247	553697465	/nfs/dbraw/zinc/69/74/65/553697465.db2.gz	HGQNCPLOQRIVAN-GVOKMPNBSA-N	0	0	764.733	2.937	10	0	in-vitro	KFAERN
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc2ccccc2c1)NS(C)(=O)=O	ZINC000095545803	562758296	/nfs/dbraw/zinc/75/82/96/562758296.db2.gz	UEIIUHMWGABPPS-CYNCVGHESA-N	0	0	745.002	2.730	10	0		KFAERN
CNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1	ZINC000095555362	562761512	/nfs/dbraw/zinc/76/15/12/562761512.db2.gz	BRSITRUZDCGGKH-UHFFFAOYSA-N	0	0	560.228	2.793	10	0		KFAERN
CC(C)[C@H]1C[C@H](O)O[C@@H]([C@@H](C)[C@H]2CC(=O)[C@@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000095628005	562788073	/nfs/dbraw/zinc/78/80/73/562788073.db2.gz	IRHVLQMEQPABHG-DONYAXAESA-N	0	0	508.696	2.503	10	0	in-vitro	KFAERN
CC(C)[C@@H]1C[C@H]([C@@H](C)[C@H]2CC(=O)[C@@H]3[C@@H]4[C@@H](O)[C@H](O)[C@H]5[C@@H](O)[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H](O)C1	ZINC000095628006	562788050	/nfs/dbraw/zinc/78/80/50/562788050.db2.gz	IRHVLQMEQPABHG-ZPCNDTDRSA-N	0	0	508.696	2.503	10	0	in-vitro	KFAERN
CCOC(=O)[C@@H]1C(c2cc(I)c(O)c(OC)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000095660832	553706632	/nfs/dbraw/zinc/70/66/32/553706632.db2.gz	KUHSSSBUZZESER-RLYIZWEESA-N	0	0	645.287	2.553	10	0		KFAERN
CCOC(=O)[C@H]1C(c2cc(I)c(O)c(OC)c2)[C@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000095660833	553706567	/nfs/dbraw/zinc/70/65/67/553706567.db2.gz	KUHSSSBUZZESER-DOMGSNSSSA-N	0	0	645.287	2.553	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2cc(I)c(O)c(OC)c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000095660834	553706578	/nfs/dbraw/zinc/70/65/78/553706578.db2.gz	KUHSSSBUZZESER-OFGOJBDASA-N	0	0	645.287	2.553	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2cc(I)c(O)c(OC)c2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	ZINC000095660835	553706612	/nfs/dbraw/zinc/70/66/12/553706612.db2.gz	KUHSSSBUZZESER-SCZBZLAKSA-N	0	0	645.287	2.553	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	ZINC000095719278	553709795	/nfs/dbraw/zinc/70/97/95/553709795.db2.gz	UPJKSNJPCVADCN-NKPGLDSYSA-N	0	0	552.262	2.996	10	0		KFAERN
CCOC(=O)[C@@H]1C(c2ccc(Br)cc2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	ZINC000095719279	553709841	/nfs/dbraw/zinc/70/98/41/553709841.db2.gz	UPJKSNJPCVADCN-FPISHFTHSA-N	0	0	552.262	2.996	10	0		KFAERN
CC(=O)O[C@@H](CC1COC(=O)C1=O)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](O)[C@]1(C)O	ZINC000096023723	553723411	/nfs/dbraw/zinc/72/34/11/553723411.db2.gz	ZZDJHMJHKZYAFI-MDLIPRPFSA-N	0	0	529.586	2.792	10	0	biogenic	KFAERN
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)O[C@@H](c2ccc(OC(C)=O)cc2)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000096023825	553723407	/nfs/dbraw/zinc/72/34/07/553723407.db2.gz	AVJCERHUOKLBBK-ZSILUESDSA-N	0	0	628.583	2.528	10	0	biogenic	KFAERN
CC[C@H](C)C(=O)O[C@H]1[C@H](O)C[C@H]2[C@@](COC(C)=O)([C@@H](OC(C)=O)C[C@@H](C)[C@]2(C)[C@@H]2C[C@H]3CCO[C@H]3O2)[C@@]12CO2	ZINC000096023886	553723599	/nfs/dbraw/zinc/72/35/99/553723599.db2.gz	XMVULWKEVGKECE-JORUAPMBSA-N	0	0	552.661	2.773	10	0	biogenic,in-vitro	KFAERN
CC[C@@H](C)C(=O)O[C@H]1[C@H](O)C[C@H]2[C@@](COC(C)=O)([C@@H](OC(C)=O)C[C@@H](C)[C@]2(C)[C@@H]2C[C@H]3CCO[C@H]3O2)[C@@]12CO2	ZINC000096085784	553723855	/nfs/dbraw/zinc/72/38/55/553723855.db2.gz	XMVULWKEVGKECE-JQLSYVBDSA-N	0	0	552.661	2.773	10	0	in-vitro	KFAERN
CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2CN(C2CCC2)CC3=O)CC1	ZINC000096296071	553748417	/nfs/dbraw/zinc/74/84/17/553748417.db2.gz	UVDAYAKUCNVSAE-ZEQRLZLVSA-N	0	0	510.679	2.759	10	0		KFAERN
O=C(OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000097956665	553840717	/nfs/dbraw/zinc/84/07/17/553840717.db2.gz	ZUEZUNSMNFNCLZ-AJYBTWMASA-N	0	0	533.306	2.617	10	0		KFAERN
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)cc1	ZINC000098014759	554092536	/nfs/dbraw/zinc/09/25/36/554092536.db2.gz	OYCDFDTXEXWMOB-URXFXBBRSA-N	0	0	543.567	2.742	10	0		KFAERN
COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)cc1	ZINC000098014760	554092760	/nfs/dbraw/zinc/09/27/60/554092760.db2.gz	OYCDFDTXEXWMOB-XUZZJYLKSA-N	0	0	543.567	2.742	10	0		KFAERN
COc1ccc(C(=O)N2[C@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)cc1	ZINC000098014761	554092764	/nfs/dbraw/zinc/09/27/64/554092764.db2.gz	OYCDFDTXEXWMOB-QPPBQGQZSA-N	0	0	543.567	2.742	10	0		KFAERN
COc1ccc(C(=O)N2[C@@H](C(=O)NC[C@H]3CCCO3)COC23CCN(C(=O)c2ccc(F)cc2F)CC3)cc1	ZINC000098014762	554092754	/nfs/dbraw/zinc/09/27/54/554092754.db2.gz	OYCDFDTXEXWMOB-ZJSXRUAMSA-N	0	0	543.567	2.742	10	0		KFAERN
CC(=O)Nc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(C)o2)Cc2ccc3c(c2)OCO3)cc1	ZINC000098017592	554109047	/nfs/dbraw/zinc/10/90/47/554109047.db2.gz	AYPWLZHHJAWRNC-UHFFFAOYSA-N	0	0	612.705	2.827	10	0		KFAERN
CC(=O)OC[C@H]1O[C@@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	ZINC000100057898	554197057	/nfs/dbraw/zinc/19/70/57/554197057.db2.gz	CZFGPYOOFYTURB-SSBCBVQQSA-N	0	0	534.517	2.944	10	0		KFAERN
CC(=O)OC[C@H]1O[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1	ZINC000100057899	554197080	/nfs/dbraw/zinc/19/70/80/554197080.db2.gz	CZFGPYOOFYTURB-OEZIKMGYSA-N	0	0	534.517	2.944	10	0		KFAERN
CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@]423)[C@@]23COC(=O)C[C@@H]2OC(C)(C)[C@@H]13	ZINC000100060190	554197882	/nfs/dbraw/zinc/19/78/82/554197882.db2.gz	IHOHGVDNDQTZGL-IOXURKDRSA-N	0	0	528.554	2.679	10	0		KFAERN
CC(=O)NCCN(C)c1ccc2c(c1)O[C@@H]1C=C(N(C)CCNC(C)=O)C=C[C@@H]1[C@]21OC(=O)c2ccccc21	ZINC000100225220	554252711	/nfs/dbraw/zinc/25/27/11/554252711.db2.gz	DZABLMRNITYWGN-NSROOHRNSA-N	0	0	530.625	2.572	10	0	in-vitro	KFAERN
CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)cc3)C1=O)N2	ZINC000100341584	562806915	/nfs/dbraw/zinc/80/69/15/562806915.db2.gz	DEKOYVOWOVJMPM-RLHIPHHXSA-N	0	0	560.629	2.979	10	0	investigational	KFAERN
CC(C)(C)NC(=O)[C@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O	ZINC000100470876	562807123	/nfs/dbraw/zinc/80/71/23/562807123.db2.gz	CBVCZFGXHXORBI-UILQWOSNSA-N	0	0	613.803	2.867	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1	ZINC000101036660	554565812	/nfs/dbraw/zinc/56/58/12/554565812.db2.gz	KIHINEDULIXMIJ-UHFFFAOYSA-N	0	0	529.004	2.817	10	0		KFAERN
CCOC(=O)[C@H]1CCCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)C1	ZINC000101265650	554698345	/nfs/dbraw/zinc/69/83/45/554698345.db2.gz	SNZWSGUZLLLPST-INIZCTEOSA-N	0	0	529.453	2.714	10	0		KFAERN
CCOC(=O)[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)C1	ZINC000101265654	554698355	/nfs/dbraw/zinc/69/83/55/554698355.db2.gz	SNZWSGUZLLLPST-MRXNPFEDSA-N	0	0	529.453	2.714	10	0		KFAERN
CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1	ZINC000101265661	554698364	/nfs/dbraw/zinc/69/83/64/554698364.db2.gz	PKOFQAXQLUTBPD-UHFFFAOYSA-N	0	0	544.468	2.649	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c21	ZINC000101265664	554698327	/nfs/dbraw/zinc/69/83/27/554698327.db2.gz	BEOIXSPRWZUZKO-UHFFFAOYSA-N	0	0	592.512	2.985	10	0		KFAERN
CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)CC)CC3)CC1	ZINC000101265701	554698321	/nfs/dbraw/zinc/69/83/21/554698321.db2.gz	FJZVQNMMCJYPPP-UHFFFAOYSA-N	0	0	529.453	2.714	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)c21	ZINC000101265708	554698330	/nfs/dbraw/zinc/69/83/30/554698330.db2.gz	JQIRBJKBIPLCLZ-UHFFFAOYSA-N	0	0	523.405	2.957	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NC[C@@H]3COc4ccccc4O3)c21	ZINC000101265743	554698537	/nfs/dbraw/zinc/69/85/37/554698537.db2.gz	SQXPXXJMYZTZAR-QGZVFWFLSA-N	0	0	537.432	2.868	10	0		KFAERN
CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NC[C@H]3COc4ccccc4O3)c21	ZINC000101265746	554698478	/nfs/dbraw/zinc/69/84/78/554698478.db2.gz	SQXPXXJMYZTZAR-KRWDZBQOSA-N	0	0	537.432	2.868	10	0		KFAERN
O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NC[C@H]1COc2ccccc2O1	ZINC000101354807	554739569	/nfs/dbraw/zinc/73/95/69/554739569.db2.gz	DFUVTXJIALRMTA-SFHVURJKSA-N	0	0	549.443	2.868	10	0		KFAERN
O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NC[C@@H]1COc2ccccc2O1	ZINC000101354808	554739607	/nfs/dbraw/zinc/73/96/07/554739607.db2.gz	DFUVTXJIALRMTA-GOSISDBHSA-N	0	0	549.443	2.868	10	0		KFAERN
O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1	ZINC000101531431	554794738	/nfs/dbraw/zinc/79/47/38/554794738.db2.gz	VGFBDXPJCKHRIJ-UHFFFAOYSA-N	0	0	528.544	2.742	10	0		KFAERN
CC[C@]12CC=C(N(C=O)c3ccccn3)C=C1N([C@H](C)C(=O)[O-])[C@H](CNc1ccc(C(N)=[NH2+])cc1)N2C	ZINC000101782226	554838557	/nfs/dbraw/zinc/83/85/57/554838557.db2.gz	YKLUXYAMSGHBJX-NQTLKNRLSA-N	0	0	503.607	2.807	10	0		KFAERN
COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)[C@@]1(C)F	ZINC000102820038	562813365	/nfs/dbraw/zinc/81/33/65/562813365.db2.gz	KVCZQFHLXRMEIB-LZEIJKKFSA-N	0	0	582.526	2.537	10	0	investigational	KFAERN
Cc1cccc(N2CCN(C(=O)c3cn(C)nc3S(=O)(=O)N3CCN(c4ccccc4Cl)CC3)CC2)c1	ZINC000102920646	555145808	/nfs/dbraw/zinc/14/58/08/555145808.db2.gz	DASGIRSPFUFQDV-UHFFFAOYSA-N	0	0	543.093	2.855	10	0		KFAERN
COc1ccccc1N1CCN(c2nc(-c3cc(OC)c(OC)c(OC)c3)ncc2C(=O)N2CCOCC2)CC1	ZINC000103385194	555373646	/nfs/dbraw/zinc/37/36/46/555373646.db2.gz	MCTWJTJRROVURZ-UHFFFAOYSA-N	0	0	549.628	2.977	10	0		KFAERN
O=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccccc2Br)c1=O)Nc1ccccc1Br	ZINC000103534313	555434450	/nfs/dbraw/zinc/43/44/50/555434450.db2.gz	PBQKRGSOHSZBAP-UHFFFAOYSA-N	0	0	554.170	2.952	10	0		KFAERN
Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1	ZINC000103534395	555434475	/nfs/dbraw/zinc/43/44/75/555434475.db2.gz	KEPSHSKKHXUMDH-UHFFFAOYSA-N	0	0	525.406	2.673	10	0		KFAERN
COc1cccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@@H](c2cccc(OC)c2)C=3C(=O)Nc2ccccc2)c1	ZINC000103593074	555452730	/nfs/dbraw/zinc/45/27/30/555452730.db2.gz	MMOCGHNCWYYOJW-DWFNGTSHSA-N	0	0	536.544	2.782	10	0		KFAERN
COc1cccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2cccc(OC)c2)C=3C(=O)Nc2ccccc2)c1	ZINC000103593079	555452744	/nfs/dbraw/zinc/45/27/44/555452744.db2.gz	MMOCGHNCWYYOJW-VKIDYWOHSA-N	0	0	536.544	2.782	10	0		KFAERN
COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1	ZINC000103593086	555452701	/nfs/dbraw/zinc/45/27/01/555452701.db2.gz	LPPBDXZRIVXIDV-GTRUEHEQSA-N	0	0	536.544	2.782	10	0		KFAERN
COc1ccc(/C=c2\c(=O)oc3n2-c2oc(N)nc2[C@H](c2ccc(OC)cc2)C=3C(=O)Nc2ccccc2)cc1	ZINC000103593090	555452747	/nfs/dbraw/zinc/45/27/47/555452747.db2.gz	LPPBDXZRIVXIDV-PLJYQOKSSA-N	0	0	536.544	2.782	10	0		KFAERN
CCOC(=O)C1=c2/c(=C/c3ccco3)c(N)c(S(=O)(=O)c3ccccc3)n2C(=O)[C@H](c2ccco2)S1	ZINC000103976329	571370581	/nfs/dbraw/zinc/37/05/81/571370581.db2.gz	SJJRXISOWROZRD-UEBLJOKOSA-N	0	0	524.576	2.718	10	0		KFAERN
CCOC(=O)C1=c2/c(=C/c3ccco3)c(N)c(S(=O)(=O)c3ccccc3)n2C(=O)[C@@H](c2ccco2)S1	ZINC000103976334	571370534	/nfs/dbraw/zinc/37/05/34/571370534.db2.gz	SJJRXISOWROZRD-PVGBUVFQSA-N	0	0	524.576	2.718	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OCC)cc2)c2n1C(=O)[C@@H](c1ccc(OCC)cc1)SC=2C(N)=O	ZINC000103976461	571370605	/nfs/dbraw/zinc/37/06/05/571370605.db2.gz	HUSFPZAUOYLWTQ-NAENUDGNSA-N	0	0	535.622	2.595	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OCC)cc2)c2n1C(=O)[C@H](c1ccc(OCC)cc1)SC=2C(N)=O	ZINC000103976466	571370592	/nfs/dbraw/zinc/37/05/92/571370592.db2.gz	HUSFPZAUOYLWTQ-ATOQVSERSA-N	0	0	535.622	2.595	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccccc2OC)c2n1C(=O)[C@@H](c1ccccc1OC)SC=2C(=O)OCC	ZINC000103977488	571370721	/nfs/dbraw/zinc/37/07/21/571370721.db2.gz	WYHNEXIQOFCPQQ-MMYRTMNYSA-N	0	0	536.606	2.893	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccccc2OC)c2n1C(=O)[C@H](c1ccccc1OC)SC=2C(=O)OCC	ZINC000103977492	571370788	/nfs/dbraw/zinc/37/07/88/571370788.db2.gz	WYHNEXIQOFCPQQ-UFIOJNINSA-N	0	0	536.606	2.893	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OC)cc2)c2n1C(=O)[C@@H](c1ccc(OC)cc1)SC=2C(=O)OCC	ZINC000103977590	571370767	/nfs/dbraw/zinc/37/07/67/571370767.db2.gz	LWMUEWZXAOVJKW-NAENUDGNSA-N	0	0	536.606	2.893	10	0		KFAERN
CCOC(=O)c1c(N)/c(=C\c2ccc(OC)cc2)c2n1C(=O)[C@H](c1ccc(OC)cc1)SC=2C(=O)OCC	ZINC000103977595	571370740	/nfs/dbraw/zinc/37/07/40/571370740.db2.gz	LWMUEWZXAOVJKW-ATOQVSERSA-N	0	0	536.606	2.893	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3cccc(Br)c3)n2-c2oc(N)nc2[C@@H]1c1cccc(Br)c1	ZINC000105219629	571391950	/nfs/dbraw/zinc/39/19/50/571391950.db2.gz	MAGYTBPBBPOBQW-QOBZYLRHSA-N	0	0	573.197	2.824	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3cccc(Br)c3)n2-c2oc(N)nc2[C@H]1c1cccc(Br)c1	ZINC000105219633	571392035	/nfs/dbraw/zinc/39/20/35/571392035.db2.gz	MAGYTBPBBPOBQW-TYWAAFNRSA-N	0	0	573.197	2.824	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3ccc(Br)cc3)n2-c2oc(N)nc2[C@@H]1c1ccc(Br)cc1	ZINC000105219640	571392000	/nfs/dbraw/zinc/39/20/00/571392000.db2.gz	BPIMTRNIMFUMMO-DDITZMBXSA-N	0	0	573.197	2.824	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3ccc(Br)cc3)n2-c2oc(N)nc2[C@H]1c1ccc(Br)cc1	ZINC000105219645	571392007	/nfs/dbraw/zinc/39/20/07/571392007.db2.gz	BPIMTRNIMFUMMO-IZNAZMGOSA-N	0	0	573.197	2.824	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3ccc(OC(C)C)c(OC)c3)n2-c2oc(N)nc2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000105219685	571392010	/nfs/dbraw/zinc/39/20/10/571392010.db2.gz	UYYALBBTLRGHQU-CRCAMNAQSA-N	0	0	591.617	2.890	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C/c3ccc(OC(C)C)c(OC)c3)n2-c2oc(N)nc2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000105219688	571392028	/nfs/dbraw/zinc/39/20/28/571392028.db2.gz	UYYALBBTLRGHQU-OCNISVCISA-N	0	0	591.617	2.890	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C\c3c(F)cccc3Cl)n2-c2oc(N)nc2[C@@H]1c1c(F)cccc1Cl	ZINC000105220266	571392138	/nfs/dbraw/zinc/39/21/38/571392138.db2.gz	CWNLGOAALNORRC-FCONWMNKSA-N	0	0	520.275	2.884	10	0		KFAERN
COC(=O)C1=c2oc(=O)/c(=C\c3c(F)cccc3Cl)n2-c2oc(N)nc2[C@H]1c1c(F)cccc1Cl	ZINC000105220270	571392124	/nfs/dbraw/zinc/39/21/24/571392124.db2.gz	CWNLGOAALNORRC-SBNBMVPLSA-N	0	0	520.275	2.884	10	0		KFAERN
O=c1c2c(c(=O)n1-c1ccccc1O)c(Br)c1c(=O)n(-c3ccccc3O)c(=O)c1c2Br	ZINC000105669648	571408269	/nfs/dbraw/zinc/40/82/69/571408269.db2.gz	SZRNISMAFLQZOR-UHFFFAOYSA-N	0	0	558.138	2.827	10	0		KFAERN
Cc1cc(=O)oc2cc(NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)OCc3ccccc3)ccc12	ZINC000106842861	571418429	/nfs/dbraw/zinc/41/84/29/571418429.db2.gz	WWRUTMQQQWGCPG-JOCHJYFZSA-N	0	0	536.585	2.613	10	0		KFAERN
CC(=O)N1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2CCCOc2ccccc2CN(Cc2ccccn2)CC3=O)CC1	ZINC000107429102	571420158	/nfs/dbraw/zinc/42/01/58/571420158.db2.gz	YGSSOWXEZQPEQS-UIOOFZCWSA-N	0	0	547.700	2.802	10	0		KFAERN
CN(CCc1ccccn1)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccccc1CN(S(C)(=O)=O)CC2=O	ZINC000107429155	571420163	/nfs/dbraw/zinc/42/01/63/571420163.db2.gz	YZRQSDGCHKCULR-GOTSBHOMSA-N	0	0	542.702	2.572	10	0		KFAERN
O=S1(=O)NC[C@H](O)CN(Cc2ccc(OC(F)(F)F)cc2)C[C@@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccnc3)ccc21	ZINC000108318021	571423371	/nfs/dbraw/zinc/42/33/71/571423371.db2.gz	GXVWAFUJWIZTDI-WFCWEMFUSA-N	0	0	623.650	2.683	10	0		KFAERN
CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1	ZINC000137610368	571450447	/nfs/dbraw/zinc/45/04/47/571450447.db2.gz	DWYNJWTYDHZUQY-UHFFFAOYSA-N	0	0	628.852	2.575	10	0		KFAERN
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCc1ccccc1	ZINC000138084998	571450808	/nfs/dbraw/zinc/45/08/08/571450808.db2.gz	OWDNFDHXFLQGQN-DQEYMECFSA-N	0	0	582.698	2.629	10	0		KFAERN
Cc1cc2c(cn1)n(CC(=O)N1[C@@H]3C[C@@H]3C[C@H]1C(=O)Nc1cccc(OC(F)(F)F)c1F)nc2C(N)=O	ZINC000142453845	562834235	/nfs/dbraw/zinc/83/42/35/562834235.db2.gz	QYJURYHNWKBKHC-DFBGVHRSSA-N	0	0	520.443	2.504	10	0		KFAERN
COc1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(=O)[nH]c1=O	ZINC000143916250	571456366	/nfs/dbraw/zinc/45/63/66/571456366.db2.gz	SHULCCQTYFCRIY-DLGLWYJGSA-N	0	0	586.553	2.751	10	0		KFAERN
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC[C@H]([NH3+])C1	ZINC000147513579	562839461	/nfs/dbraw/zinc/83/94/61/562839461.db2.gz	GOFXWTVKPWJNGD-UWJYYQICSA-N	0	0	532.070	2.967	10	0	investigational	KFAERN
Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3[N-]S(C)(=O)=O)cc2nc1N1CC[C@@H]([NH3+])C1	ZINC000147519584	562839425	/nfs/dbraw/zinc/83/94/25/562839425.db2.gz	GOFXWTVKPWJNGD-UTKZUKDTSA-N	0	0	532.070	2.967	10	0		KFAERN
COc1ccc(-n2nnnc2C(=C(c2nnnn2-c2ccc(OC)cc2)c2nnnn2-c2ccc(OC)cc2)c2nnnn2-c2ccc(OC)cc2)cc1	ZINC000150362317	571464023	/nfs/dbraw/zinc/46/40/23/571464023.db2.gz	BSAPAUQEMHSUJV-UHFFFAOYSA-N	0	0	724.706	2.631	10	0		KFAERN
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O	ZINC000150674146	562849007	/nfs/dbraw/zinc/84/90/07/562849007.db2.gz	NRUKOCRGYNPUPR-WIIMDDJPSA-N	0	0	656.662	2.753	10	0		KFAERN
COC1=C(Br)[C@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2	ZINC000160990157	562849153	/nfs/dbraw/zinc/84/91/53/562849153.db2.gz	BJWQSQOWGBUSFC-TZYAJKAJSA-N	0	0	818.108	2.842	10	0		KFAERN
COC1=C(Br)[C@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C1)=NO2	ZINC000160990295	562849161	/nfs/dbraw/zinc/84/91/61/562849161.db2.gz	BJWQSQOWGBUSFC-KZTDQWPFSA-N	0	0	818.108	2.842	10	0		KFAERN
COC1=C(Br)[C@H](O)[C@]2(C=C1Br)CC(C(=O)NCCCCNC(=O)C1=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C1)=NO2	ZINC000160990429	562849138	/nfs/dbraw/zinc/84/91/38/562849138.db2.gz	BJWQSQOWGBUSFC-GKIBHXGMSA-N	0	0	818.108	2.842	10	0		KFAERN
Cn1nccc1-c1cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n(-c2cccc(C(F)(F)F)c2)c1	ZINC000208377284	571574131	/nfs/dbraw/zinc/57/41/31/571574131.db2.gz	BSIRHPGCYXLICK-UHFFFAOYSA-N	0	0	531.516	2.985	10	0		KFAERN
COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000253482183	562881849	/nfs/dbraw/zinc/88/18/49/562881849.db2.gz	LQLPSFCMJKQOPS-RZFRIWOHSA-N	0	0	502.011	2.915	10	0		KFAERN
COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1	ZINC000253482184	562881851	/nfs/dbraw/zinc/88/18/51/562881851.db2.gz	LQLPSFCMJKQOPS-VVDZRIMGSA-N	0	0	502.011	2.915	10	0		KFAERN
COCCCN1C(=O)[C@@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000253482185	562881853	/nfs/dbraw/zinc/88/18/53/562881853.db2.gz	LQLPSFCMJKQOPS-XGVVWFOMSA-N	0	0	502.011	2.915	10	0		KFAERN
COCCCN1C(=O)[C@@H]2[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1	ZINC000253482186	562881852	/nfs/dbraw/zinc/88/18/52/562881852.db2.gz	LQLPSFCMJKQOPS-XMLSHEPFSA-N	0	0	502.011	2.915	10	0		KFAERN
OC[C@H](O)Cn1nc2c(n1)c(Br)c(Br)c(Br)c2Br	ZINC000299824476	562883281	/nfs/dbraw/zinc/88/32/81/562883281.db2.gz	MNSPLRSRAPZXJT-GSVOUGTGSA-N	0	0	508.790	2.835	10	0		KFAERN
OC[C@@H](O)Cn1nc2c(n1)c(Br)c(Br)c(Br)c2Br	ZINC000299824481	562883285	/nfs/dbraw/zinc/88/32/85/562883285.db2.gz	MNSPLRSRAPZXJT-VKHMYHEASA-N	0	0	508.790	2.835	10	0		KFAERN